GRADE & PURITY ≥98%

Synonyms

(3S)-N-(2,4-Dichlorobenzyl)-1-(5-bromopyrimidin-2-yl)pyrrolidinyl-3-amine hydrochloride

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(3S)-N-(2, 4-Dichlorobenzyl)-1-(5-bromopyrimidin-2-yl)pyrrolidinyl-3-amine hydrochloride

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Selective negative allosteric modulator of mGlu3(IC50= 190 nM). Exhibits > 65-fold selectivity for mGlu3over other mGlu receptors. Abolishes the neuroprotective action ofLY 379268against amyloidβtoxicity in mixed cortical neuronal and astrocyte cell cultu

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

MODULATOR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488197560
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197560
• Sonrisas canónicas: C1CN(CC1NCC2=C(C=C(C=C2)Cl)Cl)C3=NC=C(C=N3)Br.Cl
• IUPAC Name: (3S)-1-(5-bromopyrimidin-2-yl)-N-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
• InChIKey: IRIBLLOEUZMCQY-ZOWNYOTGSA-N
• INCHI: 1S/C15H15BrCl2N4.ClH/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18;/h1-2,5,7-8,13,19H,3-4,6,9H2;1H/t13-;/m0./s1
• Isómeros SMILES: C1CN(C[C@H]1NCC2=C(C=C(C=C2)Cl)Cl)C3=NC=C(C=N3)Br.Cl
• PubChem CID: 11503054
• Peso molecular: 438.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Phenylmethylamines Dialkylarylamines Benzylamines Aminopyrimidines and derivatives Aralkylamines Halopyrimidines Aryl bromides Aryl chlorides Pyrrolidines Heteroaromatic compounds Azacyclic compounds Dialkylamines Hydrocarbon derivatives Hydrochlorides Organochlorides Organobromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - 1,3-dichlorobenzene - Phenylmethylamine - Dialkylarylamine - Aminopyrimidine - Halopyrimidine - Aralkylamine - Pyrimidine - Aryl bromide - Aryl chloride - Aryl halide - Pyrrolidine - Heteroaromatic compound - Organoheterocyclic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 8.77, Max Conc. mM: 20
• Peso molecular: 438.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 435.962 Da
• Monoisotopic Mass: 435.962 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 354.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3